N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3-chloranylphenoxy)propanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3-chloranylphenoxy)propanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3-chlorophenoxy)propanamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(3-chlorophenoxy)propanamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(3-chlorophenoxy)propanamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3-chlorophenoxy)propionamide Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)S(=O)(=O)N2CCCCCC2)OC)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H27ClN2O5S/c1-16(30-18-9-7-8-17(23)14-18)22(26)24-20-15-19(10-11-21(20)29-2)31(27,28)25-12-5-3-4-6-13-25/h7-11,14-16H,3-6,12-13H2,1-2H3,(H,24,26)